BDBM50546877 CHEMBL4743480

SMILES CS(=O)(=O)SCCCCCCCN(O)C(=O)\C=C\c1ccc(Cl)cc1Cl

InChI Key InChIKey=HMBZLDFPFQJBJT-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50546877   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50546877(CHEMBL4743480)
Affinity DataKi:  8.80E+4nMAssay Description:Irreversible inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide flp6 as substrate preincu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed